SCHEMBL4863250

SCHEMBL4863250

CC(C)(C)OC(=O)NCCc1ccc(NC[C@@H](O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.60
NAMPT P43490 1/20 0.53
ADRB3 P13945 9/20 0.51
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADRB1 P08588 3/20 0.48
CTSK P43235 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4867710 1.00 ADRB2 (0.60) ADRB2NAMPTADRB3KDM4EGAA
SCHEMBL6619401 0.83 ADRB2 (0.72) ADRB2ADRB3KDM4EGAASMN1; SMN2
SCHEMBL4867801 0.82 NAMPT (0.58) NAMPTGAACTSKCA1CA2
SCHEMBL27916601 0.82 ADRB3 (0.62) ADRB2ADRB3KDM4EGAASMN1; SMN2
SCHEMBL17209085 0.82 ADRB3 (0.62) ADRB2ADRB3KDM4EGAASMN1; SMN2
SCHEMBL1624911 0.80 NPC1 (0.58) KDM4ESMN1; SMN2CTSK
SCHEMBL7739354 0.80 NPC1 (0.58) KDM4ESMN1; SMN2CTSK
SCHEMBL350453 0.80 NPC1 (0.58) KDM4ESMN1; SMN2CTSK
SCHEMBL572740 0.80 IDO1 (0.60) NAMPTGAACTSKCA1CA2
SCHEMBL23291264 0.79 NAMPT (0.57) NAMPTSMN1; SMN2TDP1CTSKCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7105701-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2006-09-12 US disclosed
US-20060183918-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-17 US disclosed
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP disclosed
US-20050261338-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20050209275-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-22 US disclosed
EP-1235787-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2002-09-04 EP disclosed
US-20020055651-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2002-05-09 US disclosed
WO-2001042193-A1 β2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2001-06-14 WO disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
EP-1019075-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-12-13 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
EP-1019075-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3474/4885ADRB3 4/4885
US-20020055651-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3399/4885ADRB3 4/4885
US-20050209275-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3589/4885ADRB3 4/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3589/4885ADRB3 4/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3474/4885ADRB3 4/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885NAMPT 3474/4885ADRB3 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.